Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR3C1 | P04150 | 6/20 | 0.41 |
| ▸ | FABP3 | P05413 | 1/20 | 0.41 |
| ▸ | FABP4 | P15090 | 1/20 | 0.41 |
| ▸ | FABP5 | Q01469 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | GMNN | O75496 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | THPO | P40225 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL1363026 | 0.86 | KMT2A (0.52) | MEN1GMNNUSP2ALDH1A1LMNA | |
| SCHEMBL2245002 | 0.85 | MEN1 (0.40) | FABP3FABP4FABP5MEN1GMNN | |
| SCHEMBL13612893 | 0.79 | ADORA3 (0.40) | NR3C1MEN1GMNNUSP2ALDH1A1 | |
| SCHEMBL14045425 | 0.77 | PDE10A (0.38) | NR3C1MEN1GMNNUSP2ALDH1A1 | |
| SCHEMBL4930818 | 0.76 | KMT2A (0.53) | MEN1GMNNUSP2ALDH1A1LMNA | |
| SCHEMBL4930739 | 0.75 | KMT2A (0.34) | NR3C1FABP3FABP4FABP5MEN1 | |
| SCHEMBL221404 | 0.75 | ALDH1A1 (0.63) | MEN1GMNNUSP2ALDH1A1LMNA | |
| SCHEMBL1560589 | 0.74 | MEN1 (0.53) | MEN1GMNNUSP2ALDH1A1LMNA | |
| SCHEMBL582299 | 0.73 | NR3C1 (0.61) | NR3C1MEN1MAPTBLMPMP22 | |
| SCHEMBL1363559 | 0.73 | PDE4B (0.60) | PDE4B |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8003663-B2 | N-{[1,6-diethyl-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridin-5-yl]methyl}-4-({8-[(2-hydroxyethyl)(methyl)amino]octanoyl}amino)benzamide; phosphodiesterase inhibitor; antiinflammatory, antiallergenic agent; chronic obstructive pulmonary disease (COPD), asthma, or rhinitis | GLAXO GROUP LIMITED (GB) | 2011-08-23 | — | — | US | disclosed |